3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine

C24H21ClFNO2 — CID 156856169

IUPAC3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine
SMILESFc1cc2c(c(-c3ccccc3)c1Cl)C[C@](c1ccccc1)(C1COCCN1)O2
InChIInChI=1S/C24H21ClFNO2/c25-23-19(26)13-20-18(22(23)16-7-3-1-4-8-16)14-24(29-20,17-9-5-2-6-10-17)21-15-28-12-11-27-21/h1-10,13,21,27H,11-12,14-15H2/t21?,24-/m0/s1
InChIKeyXIMLGINFHCEHSH-FHZUCYEKSA-N
MW409.89 g/mol
LogP4.96
Rot. Bonds3

About 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine

3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine (PubChem CID 156856169) has the molecular formula C24H21ClFNO2 and a molecular weight of 409.89 g/mol. Its IUPAC name is 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine.

Molecular Properties

Compound Name3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine
PubChem CID156856169
Molecular FormulaC24H21ClFNO2
Molecular Weight409.89 g/mol
Exact Mass409.12
IUPAC Name3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine
SMILESFc1cc2c(c(-c3ccccc3)c1Cl)C[C@](c1ccccc1)(C1COCCN1)O2
InChIInChI=1S/C24H21ClFNO2/c25-23-19(26)13-20-18(22(23)16-7-3-1-4-8-16)14-24(29-20,17-9-5-2-6-10-17)21-15-28-12-11-27-21/h1-10,13,21,27H,11-12,14-15H2/t21?,24-/m0/s1
InChIKeyXIMLGINFHCEHSH-FHZUCYEKSA-N
XLogP4.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine?
The IUPAC name of 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine (CID 156856169) is 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine.
What is the SMILES notation for 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine?
The canonical SMILES for 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine is Fc1cc2c(c(-c3ccccc3)c1Cl)C[C@](c1ccccc1)(C1COCCN1)O2.
What is the InChIKey of 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine?
The InChIKey is XIMLGINFHCEHSH-FHZUCYEKSA-N. The full InChI is InChI=1S/C24H21ClFNO2/c25-23-19(26)13-20-18(22(23)16-7-3-1-4-8-16)14-24(29-20,17-9-5-2-6-10-17)21-15-28-12-11-27-21/h1-10,13,21,27H,11-12,14-15H2/t21?,24-/m0/s1.
What are the key properties of 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine?
3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine has a molecular weight of 409.89 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5-chloro-6-fluoro-2,4-diphenyl-3H-1-benzofuran-2-yl]morpholine is sourced from PubChem (CID 156856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).